 Entering Gaussian System, Link 0=g09
 Input=/home/long/gaussian/Cu_coord output1/plusglu/ligand_bound/newligand/Energy Calculations/crystal_high_Cu_re_ligand_nometal_Energy.com
 Output=/home/long/gaussian/Cu_coord output1/plusglu/ligand_bound/newligand/Energy Calculations/crystal_high_Cu_re_ligand_nometal_Energy.log
 Initial command:
 /home/long/gaussian/g09/l1.exe "/home/long/gaussian/Gau-8569.inp" -scrdir="/home/long/gaussian/"
 Entering Link 1 = /home/long/gaussian/g09/l1.exe PID=      8572.
  
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 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
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 Cite this work as:
 Gaussian 09, Revision D.01,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, 
 G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, 
 A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, 
 M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, 
 Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., 
 J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, 
 K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, 
 M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, 
 V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, 
 O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, 
 R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, 
 P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, 
 O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, 
 and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013.
 
 ******************************************
 Gaussian 09:  ES64L-G09RevD.01 24-Apr-2013
                27-Jun-2020 
 ******************************************
 %mem=6GB
 %chk=crystal_high_Cu_re_ligand_nometal_Energy.chk
 --------------------------------------------
 # b3pw91/6-311++g(3df,3pd) geom=connectivity
 --------------------------------------------
 1/38=1,57=2/1;
 2/12=2,17=6,18=5,40=1/2;
 3/5=4,6=6,7=1616,11=2,16=1,25=1,30=1,74=-6/1,2,3;
 4//1;
 5/5=2,38=5/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 99/5=1,9=1/99;
 ----
 5h8x
 ----
 Symbolic Z-matrix:
 Charge = -1 Multiplicity = 1
 C                    -1   -4.56468  -3.12347  -2.58326 
 C                    0    -3.83736  -1.89468  -3.19323 
 C                    0    -2.47527  -1.64938  -2.6051 
 C                    0    -1.97563  -0.63485  -1.80071 
 N                    0    -1.39755  -2.53074  -2.78496 
 C                    0    -0.30981  -2.03862  -2.10315 
 N                    0    -0.62869  -0.88938  -1.49162 
 C                    -1   -5.35685  -0.39256   0.17301 
 C                    0    -5.8607    0.86654   0.91156 
 C                    0    -5.11248   2.15744   0.48777 
 C                    0    -3.626     2.03382   0.77831 
 O                    0    -3.17589   1.77115   1.9267 
 O                    0    -2.81336   2.16844  -0.29928 
 C                    -1   -2.4824   -2.86511   4.09077 
 C                    0    -1.0796   -2.46802   4.60093 
 C                    0    -0.2589   -1.72816   3.57616 
 C                    0    -0.42149  -1.51335   2.21658 
 N                    0     0.92544  -1.0454    3.90538 
 C                    0     1.4302   -0.44397   2.77854 
 N                    0     0.63239  -0.71761   1.73641 
 C                    -1    4.15833  -4.73038  -0.47213 
 C                    0     4.79674  -3.51323  -1.17315 
 C                    0     3.90232  -2.30336  -1.1535 
 C                    0     2.78159  -1.98578  -0.40161 
 N                    0     4.10177  -1.18939  -1.98662 
 C                    0     3.12453  -0.25904  -1.73153 
 N                    0     2.31244  -0.71948  -0.77361 
 H                    0    -5.55665  -3.24046  -3.03532 
 H                    0    -4.69285  -3.00154  -1.50196 
 H                    0    -4.00811  -4.05413  -2.75804 
 H                    0    -4.44291  -0.99717  -3.02767 
 H                    0    -3.76082  -2.02069  -4.2835 
 H                    0    -2.48484   0.24337  -1.43637 
 H                    0    -1.41972  -3.38406  -3.32824 
 H                    0     0.65197  -2.52332  -2.07768 
 H                    0    -4.30147  -0.58926   0.40039 
 H                    0    -5.45866  -0.2758   -0.9149 
 H                    0    -5.93672  -1.27528   0.47325 
 H                    0    -6.93323   1.00481   0.7179 
 H                    0    -5.73914   0.73178   1.99363 
 H                    0    -5.2546    2.36219  -0.57847 
 H                    0    -5.50825   3.00755   1.05936 
 H                    0    -3.05878  -1.97995   3.79743 
 H                    0    -3.03561  -3.38809   4.87872 
 H                    0    -2.41617  -3.53765   3.22613 
 H                    0    -1.19129  -1.83573   5.49441 
 H                    0    -0.54162  -3.37203   4.92486 
 H                    0    -1.22005  -1.84014   1.5719 
 H                    0     1.32448  -0.97803   4.83326 
 H                    0     2.29873   0.19568   2.73763 
 H                    0     3.9524   -4.51839   0.58416 
 H                    0     3.21707  -5.01841  -0.9557 
 H                    0     4.8366   -5.58985  -0.51098 
 H                    0     5.0353   -3.77711  -2.21425 
 H                    0     5.75427  -3.27604  -0.68592 
 H                    0     2.29537  -2.55839   0.36964 
 H                    0     4.84092  -1.09289  -2.67156 
 H                    0     3.01292   0.69277  -2.22254 
 O                    0    -0.6443    1.46406   0.52644 
 H                    0    -0.91466   1.3353    1.46118 
 H                    0    -1.75779   1.89287  -0.01163 
 C                    0     3.65352   2.72296   0.98364 
 O                    0     3.02938   1.83625   1.62665 
 N                    0     3.00178   3.68824   0.24986 
 C                    0     1.54487   3.78835   0.18862 
 C                    0     0.93917   3.11492  -1.05097 
 O                    0     1.3172    1.94933  -1.41039 
 N                    0    -0.02673   3.80371  -1.698 
 H                    0     1.12414   3.25248   1.04647 
 H                    0     1.2464    4.84174   0.25262 
 H                    0     3.5543    4.36363  -0.26413 
 H                    0    -0.29985   4.70918  -1.33019 
 C                    0    -0.85327   3.24046  -2.78117 
 H                    0    -0.8631    3.92128  -3.63942 
 H                    0    -0.42145   2.28377  -3.08066 
 H                    0    -1.87398   3.07622  -2.4182 
 C                    0     5.17206   2.80276   0.99344 
 H                    0     5.51113   3.04647   2.00707 
 H                    0     5.5849    1.82116   0.73869 
 H                    0     5.57249   3.55133   0.30148 
 
 Stoichiometry    C24H43N8O5(1-)
 Framework group  C1[X(C24H43N8O5)]
 Deg. of freedom   234
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.487309   -3.125530   -2.580875
      2          6           0       -3.766198   -1.895019   -3.194730
      3          6           0       -2.404182   -1.642692   -2.609406
      4          6           0       -1.907497   -0.624307   -1.808068
      5          7           0       -1.323056   -2.519884   -2.789149
      6          6           0       -0.236265   -2.021696   -2.110226
      7          7           0       -0.558988   -0.872479   -1.500670
      8          6           0       -5.286435   -0.391978    0.170765
      9          6           0       -5.794368    0.866599    0.907406
     10          6           0       -5.052304    2.159718    0.479561
     11          6           0       -3.564838    2.043005    0.767886
     12          8           0       -3.111716    1.784737    1.916097
     13          8           0       -2.754562    2.178693   -0.311339
     14          6           0       -2.395071   -2.843818    4.089097
     15          6           0       -0.993116   -2.439699    4.596044
     16          6           0       -0.177248   -1.698623    3.568296
     17          6           0       -0.342996   -1.487473    2.208529
     18          7           0        1.004737   -1.010163    3.894058
     19          6           0        1.505090   -0.409070    2.765069
     20          7           0        0.706715   -0.688348    1.724871
     21          6           0        4.245894   -4.691018   -0.480813
     22          6           0        4.877996   -3.472720   -1.185543
     23          6           0        3.978506   -2.266591   -1.167035
     24          6           0        2.857693   -1.952100   -0.413961
     25          7           0        4.171876   -1.153616   -2.002904
     26          6           0        3.191142   -0.226843   -1.748206
     27          7           0        2.382589   -0.688604   -0.787934
     28          1           0       -5.479532   -3.247692   -3.031020
     29          1           0       -4.614200   -3.001785   -1.499636
     30          1           0       -3.927108   -4.054217   -2.754559
     31          1           0       -4.375257   -0.999710   -3.030113
     32          1           0       -3.690937   -2.023081   -4.284852
     33          1           0       -2.419805    0.252552   -1.444792
     34          1           0       -1.342520   -3.374479   -3.330530
     35          1           0        0.727584   -2.502282   -2.085307
     36          1           0       -4.229859   -0.583719    0.396806
     37          1           0       -5.390534   -0.278021   -0.917224
     38          1           0       -5.862074   -1.276475    0.473888
     39          1           0       -6.867788    0.999923    0.715240
     40          1           0       -5.670446    0.734713    1.989564
     41          1           0       -5.197063    2.361532   -0.586885
     42          1           0       -5.450714    3.009397    1.049957
     43          1           0       -2.975665   -1.961734    3.794793
     44          1           0       -2.944765   -3.367405    4.879105
     45          1           0       -2.327443   -3.517961    3.225805
     46          1           0       -1.105988   -1.805941    5.488334
     47          1           0       -0.450784   -3.340720    4.921041
     48          1           0       -1.141238   -1.819031    1.565898
     49          1           0        1.405032   -0.939075    4.821119
     50          1           0        2.370845    0.234150    2.721319
     51          1           0        4.040818   -4.477595    0.575361
     52          1           0        3.305054   -4.984072   -0.962184
     53          1           0        4.927715   -5.547699   -0.518917
     54          1           0        5.115940   -3.737868   -2.226460
     55          1           0        5.835327   -3.230429   -0.700429
     56          1           0        2.375185   -2.525074    0.359338
     57          1           0        4.909470   -1.055498   -2.689281
     58          1           0        3.074695    0.723414   -2.241108
     59          8           0       -0.581176    1.485272    0.512290
     60          1           0       -0.849444    1.357415    1.447757
     61          1           0       -1.697367    1.908206   -0.024855
     62          6           0        3.712033    2.763290    0.959577
     63          8           0        3.092715    1.875359    1.605554
     64          7           0        3.055016    3.724199    0.224788
     65          6           0        1.597590    3.818036    0.165762
     66          6           0        0.992683    3.139354   -1.071347
     67          8           0        1.375035    1.974583   -1.428861
     68          7           0        0.022812    3.822642   -1.718267
     69          1           0        1.180548    3.282266    1.025472
     70          1           0        1.294781    4.870292    0.227958
     71          1           0        3.603818    4.400791   -0.291589
     72          1           0       -0.253512    4.727759   -1.351977
     73          6           0       -0.803138    3.253548   -2.798823
     74          1           0       -0.817264    3.932449   -3.658536
     75          1           0       -0.367782    2.298037   -3.096956
     76          1           0       -1.822541    3.085795   -2.433797
     77          6           0        5.230242    2.849509    0.966671
     78          1           0        5.569961    3.096860    1.979199
     79          1           0        5.646801    1.869104    0.713372
     80          1           0        5.626360    3.598251    0.272410
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0974854      0.0706388      0.0647316
 Standard basis: 6-311++G(3df,3pd) (5D, 7F)
 There are  2482 symmetry adapted cartesian basis functions of A   symmetry.
 There are  2217 symmetry adapted basis functions of A   symmetry.
  2217 basis functions,  3049 primitive gaussians,  2482 cartesian basis functions
   142 alpha electrons      142 beta electrons
       nuclear repulsion energy      4405.4613444935 Hartrees.
 NAtoms=   80 NActive=   80 NUniq=   80 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  2217 RedAO= T EigKep=  1.28D-06  NBF=  2217
 NBsUse=  2214 1.00D-06 EigRej=  3.86D-07 NBFU=  2214
 ExpMin= 3.60D-02 ExpMax= 8.59D+03 ExpMxC= 1.30D+03 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  408 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  408 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Restarting incremental Fock formation.
 SCF Done:  E(RB3PW91) =  -1754.51771714     A.U. after   23 cycles
            NFock= 23  Conv=0.46D-08     -V/T= 2.0058

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.96704 -18.94330 -18.92993 -18.92978 -18.81166
 Alpha  occ. eigenvalues --  -14.24372 -14.23670 -14.23518 -14.22506 -14.21132
 Alpha  occ. eigenvalues --  -14.14396 -14.14140 -14.12918 -10.16117 -10.12615
 Alpha  occ. eigenvalues --  -10.12493 -10.08893 -10.08339 -10.08095 -10.08060
 Alpha  occ. eigenvalues --  -10.07993 -10.07833 -10.07706 -10.07550 -10.07150
 Alpha  occ. eigenvalues --  -10.06995 -10.06804 -10.06693 -10.06302 -10.06200
 Alpha  occ. eigenvalues --  -10.05685 -10.05464 -10.04740 -10.04562 -10.04204
 Alpha  occ. eigenvalues --  -10.03435 -10.03108  -0.91148  -0.89331  -0.88369
 Alpha  occ. eigenvalues --   -0.87600  -0.87304  -0.86484  -0.81396  -0.80881
 Alpha  occ. eigenvalues --   -0.78768  -0.73404  -0.72771  -0.71583  -0.70145
 Alpha  occ. eigenvalues --   -0.68852  -0.68224  -0.68093  -0.67184  -0.66310
 Alpha  occ. eigenvalues --   -0.61640  -0.61350  -0.60781  -0.59584  -0.58861
 Alpha  occ. eigenvalues --   -0.56822  -0.54572  -0.53443  -0.52761  -0.49529
 Alpha  occ. eigenvalues --   -0.48855  -0.48672  -0.48113  -0.46999  -0.46321
 Alpha  occ. eigenvalues --   -0.46163  -0.45767  -0.44386  -0.41757  -0.41566
 Alpha  occ. eigenvalues --   -0.40956  -0.40280  -0.40019  -0.38496  -0.37366
 Alpha  occ. eigenvalues --   -0.36971  -0.36014  -0.35623  -0.35517  -0.35040
 Alpha  occ. eigenvalues --   -0.34891  -0.34204  -0.33929  -0.33812  -0.33107
 Alpha  occ. eigenvalues --   -0.32678  -0.32198  -0.31274  -0.31127  -0.31020
 Alpha  occ. eigenvalues --   -0.30623  -0.30365  -0.30271  -0.29563  -0.29466
 Alpha  occ. eigenvalues --   -0.28843  -0.28646  -0.28231  -0.28118  -0.28098
 Alpha  occ. eigenvalues --   -0.27833  -0.27619  -0.27514  -0.27186  -0.26962
 Alpha  occ. eigenvalues --   -0.26664  -0.26487  -0.25865  -0.25831  -0.25791
 Alpha  occ. eigenvalues --   -0.25582  -0.25465  -0.25171  -0.24198  -0.23869
 Alpha  occ. eigenvalues --   -0.22712  -0.22350  -0.21775  -0.20383  -0.16030
 Alpha  occ. eigenvalues --   -0.15794  -0.15214  -0.14781  -0.14503  -0.13347
 Alpha  occ. eigenvalues --   -0.13268  -0.13039  -0.11847  -0.11336  -0.10543
 Alpha  occ. eigenvalues --   -0.10504  -0.10107  -0.09899  -0.09366  -0.08941
 Alpha  occ. eigenvalues --   -0.03023  -0.01842
 Alpha virt. eigenvalues --    0.06246   0.06718   0.06949   0.07637   0.07923
 Alpha virt. eigenvalues --    0.08201   0.08385   0.08819   0.09160   0.09471
 Alpha virt. eigenvalues --    0.09600   0.09689   0.09891   0.10511   0.10742
 Alpha virt. eigenvalues --    0.10919   0.10964   0.11473   0.11649   0.11804
 Alpha virt. eigenvalues --    0.12062   0.12507   0.12578   0.13053   0.13187
 Alpha virt. eigenvalues --    0.13398   0.13505   0.13594   0.13702   0.14070
 Alpha virt. eigenvalues --    0.14249   0.14458   0.14560   0.14690   0.14862
 Alpha virt. eigenvalues --    0.15149   0.15261   0.15523   0.15908   0.16023
 Alpha virt. eigenvalues --    0.16102   0.16283   0.16536   0.16685   0.17042
 Alpha virt. eigenvalues --    0.17213   0.17346   0.17382   0.17564   0.17788
 Alpha virt. eigenvalues --    0.17955   0.18274   0.18338   0.18349   0.18566
 Alpha virt. eigenvalues --    0.18638   0.18800   0.18915   0.19094   0.19186
 Alpha virt. eigenvalues --    0.19473   0.19564   0.19660   0.19888   0.20171
 Alpha virt. eigenvalues --    0.20218   0.20306   0.20557   0.20822   0.20848
 Alpha virt. eigenvalues --    0.20921   0.21119   0.21185   0.21448   0.21641
 Alpha virt. eigenvalues --    0.21839   0.21959   0.22130   0.22185   0.22478
 Alpha virt. eigenvalues --    0.22587   0.22632   0.22824   0.23000   0.23091
 Alpha virt. eigenvalues --    0.23233   0.23362   0.23503   0.23670   0.23707
 Alpha virt. eigenvalues --    0.24043   0.24162   0.24233   0.24354   0.24364
 Alpha virt. eigenvalues --    0.24582   0.24927   0.25075   0.25254   0.25535
 Alpha virt. eigenvalues --    0.25671   0.25715   0.25952   0.26042   0.26099
 Alpha virt. eigenvalues --    0.26147   0.26285   0.26500   0.26660   0.26824
 Alpha virt. eigenvalues --    0.26914   0.27093   0.27399   0.27535   0.27693
 Alpha virt. eigenvalues --    0.27787   0.27946   0.27986   0.28321   0.28386
 Alpha virt. eigenvalues --    0.28799   0.28895   0.29036   0.29227   0.29295
 Alpha virt. eigenvalues --    0.29502   0.29615   0.29779   0.29912   0.29945
 Alpha virt. eigenvalues --    0.30282   0.30577   0.30833   0.30900   0.31069
 Alpha virt. eigenvalues --    0.31316   0.31412   0.31542   0.31892   0.31966
 Alpha virt. eigenvalues --    0.32146   0.32342   0.32374   0.32595   0.32795
 Alpha virt. eigenvalues --    0.32916   0.33164   0.33371   0.33500   0.33883
 Alpha virt. eigenvalues --    0.33988   0.34030   0.34166   0.34447   0.34571
 Alpha virt. eigenvalues --    0.34633   0.34813   0.35037   0.35091   0.35347
 Alpha virt. eigenvalues --    0.35600   0.35868   0.35925   0.36076   0.36303
 Alpha virt. eigenvalues --    0.36576   0.36657   0.36842   0.36962   0.37146
 Alpha virt. eigenvalues --    0.37226   0.37338   0.37571   0.37839   0.37987
 Alpha virt. eigenvalues --    0.38025   0.38124   0.38153   0.38417   0.38487
 Alpha virt. eigenvalues --    0.38677   0.38989   0.39134   0.39299   0.39434
 Alpha virt. eigenvalues --    0.39615   0.39812   0.40006   0.40137   0.40334
 Alpha virt. eigenvalues --    0.40432   0.40457   0.40837   0.40874   0.41071
 Alpha virt. eigenvalues --    0.41115   0.41348   0.41603   0.41709   0.41931
 Alpha virt. eigenvalues --    0.42032   0.42214   0.42314   0.42457   0.42643
 Alpha virt. eigenvalues --    0.42908   0.43088   0.43356   0.43467   0.43626
 Alpha virt. eigenvalues --    0.43854   0.44149   0.44280   0.44440   0.44606
 Alpha virt. eigenvalues --    0.44709   0.44944   0.45089   0.45184   0.45351
 Alpha virt. eigenvalues --    0.45637   0.45691   0.45821   0.46015   0.46201
 Alpha virt. eigenvalues --    0.46429   0.46621   0.46690   0.46867   0.47250
 Alpha virt. eigenvalues --    0.47295   0.47702   0.47768   0.47944   0.48090
 Alpha virt. eigenvalues --    0.48332   0.48364   0.48582   0.48787   0.49201
 Alpha virt. eigenvalues --    0.49430   0.49921   0.49930   0.50178   0.50380
 Alpha virt. eigenvalues --    0.50425   0.50609   0.50860   0.50885   0.51181
 Alpha virt. eigenvalues --    0.51517   0.51535   0.51736   0.51931   0.52266
 Alpha virt. eigenvalues --    0.52516   0.52609   0.52787   0.52991   0.53209
 Alpha virt. eigenvalues --    0.53437   0.53767   0.53846   0.54086   0.54238
 Alpha virt. eigenvalues --    0.54355   0.54499   0.54996   0.55191   0.55429
 Alpha virt. eigenvalues --    0.55494   0.55758   0.55977   0.56173   0.56315
 Alpha virt. eigenvalues --    0.56433   0.56635   0.57101   0.57317   0.57445
 Alpha virt. eigenvalues --    0.57785   0.57851   0.58101   0.58306   0.58424
 Alpha virt. eigenvalues --    0.58514   0.58948   0.59084   0.59207   0.59361
 Alpha virt. eigenvalues --    0.59660   0.59830   0.59961   0.60146   0.60425
 Alpha virt. eigenvalues --    0.60594   0.60749   0.60856   0.61055   0.61252
 Alpha virt. eigenvalues --    0.61420   0.61512   0.61791   0.62034   0.62143
 Alpha virt. eigenvalues --    0.62231   0.62606   0.62743   0.62981   0.63129
 Alpha virt. eigenvalues --    0.63180   0.63352   0.63529   0.63681   0.63817
 Alpha virt. eigenvalues --    0.64163   0.64380   0.64462   0.64764   0.64947
 Alpha virt. eigenvalues --    0.65065   0.65343   0.65356   0.65709   0.65796
 Alpha virt. eigenvalues --    0.65869   0.66005   0.66153   0.66359   0.66568
 Alpha virt. eigenvalues --    0.66617   0.66706   0.67022   0.67102   0.67313
 Alpha virt. eigenvalues --    0.67506   0.67620   0.67775   0.67896   0.68046
 Alpha virt. eigenvalues --    0.68170   0.68432   0.68581   0.68920   0.68980
 Alpha virt. eigenvalues --    0.69248   0.69301   0.69431   0.69539   0.69974
 Alpha virt. eigenvalues --    0.70120   0.70325   0.70393   0.70725   0.70771
 Alpha virt. eigenvalues --    0.70965   0.71082   0.71185   0.71436   0.71457
 Alpha virt. eigenvalues --    0.71689   0.71967   0.72331   0.72502   0.72631
 Alpha virt. eigenvalues --    0.72643   0.72868   0.73131   0.73201   0.73365
 Alpha virt. eigenvalues --    0.73567   0.73861   0.74088   0.74155   0.74351
 Alpha virt. eigenvalues --    0.74568   0.74651   0.74884   0.75004   0.75257
 Alpha virt. eigenvalues --    0.75394   0.75425   0.75745   0.75906   0.76221
 Alpha virt. eigenvalues --    0.76356   0.76602   0.76767   0.76915   0.77125
 Alpha virt. eigenvalues --    0.77232   0.77429   0.77657   0.78006   0.78191
 Alpha virt. eigenvalues --    0.78349   0.78488   0.78529   0.78716   0.79176
 Alpha virt. eigenvalues --    0.79338   0.79659   0.79780   0.79872   0.80061
 Alpha virt. eigenvalues --    0.80470   0.80683   0.80920   0.81189   0.81385
 Alpha virt. eigenvalues --    0.81572   0.81764   0.82080   0.82223   0.82292
 Alpha virt. eigenvalues --    0.82567   0.82653   0.82685   0.83073   0.83268
 Alpha virt. eigenvalues --    0.83431   0.83805   0.84147   0.84417   0.84521
 Alpha virt. eigenvalues --    0.84655   0.85003   0.85184   0.85458   0.85705
 Alpha virt. eigenvalues --    0.85825   0.86117   0.86188   0.86701   0.86881
 Alpha virt. eigenvalues --    0.86975   0.87113   0.87283   0.87531   0.87668
 Alpha virt. eigenvalues --    0.87887   0.88066   0.88167   0.88570   0.88629
 Alpha virt. eigenvalues --    0.88820   0.89279   0.89314   0.89632   0.89816
 Alpha virt. eigenvalues --    0.89827   0.90035   0.90235   0.90309   0.90695
 Alpha virt. eigenvalues --    0.91113   0.91149   0.91290   0.91546   0.91577
 Alpha virt. eigenvalues --    0.91931   0.92078   0.92454   0.92576   0.92696
 Alpha virt. eigenvalues --    0.92749   0.93077   0.93263   0.93514   0.93586
 Alpha virt. eigenvalues --    0.93711   0.94018   0.94577   0.94668   0.94752
 Alpha virt. eigenvalues --    0.95007   0.95261   0.95322   0.95525   0.95753
 Alpha virt. eigenvalues --    0.95947   0.96104   0.96213   0.96433   0.96560
 Alpha virt. eigenvalues --    0.96768   0.96988   0.97102   0.97442   0.97493
 Alpha virt. eigenvalues --    0.97719   0.97953   0.98250   0.98828   0.98857
 Alpha virt. eigenvalues --    0.98898   0.99201   0.99382   0.99404   0.99747
 Alpha virt. eigenvalues --    0.99938   1.00156   1.00277   1.00646   1.00808
 Alpha virt. eigenvalues --    1.00898   1.01292   1.01456   1.01662   1.01830
 Alpha virt. eigenvalues --    1.02094   1.02191   1.02554   1.02826   1.02926
 Alpha virt. eigenvalues --    1.03012   1.03321   1.03522   1.03848   1.04026
 Alpha virt. eigenvalues --    1.04288   1.04528   1.04660   1.04953   1.05123
 Alpha virt. eigenvalues --    1.05239   1.05515   1.05715   1.05748   1.06022
 Alpha virt. eigenvalues --    1.06287   1.06498   1.06791   1.06997   1.07119
 Alpha virt. eigenvalues --    1.07274   1.07706   1.07896   1.08129   1.08553
 Alpha virt. eigenvalues --    1.08636   1.08948   1.09092   1.09170   1.09527
 Alpha virt. eigenvalues --    1.09646   1.09834   1.09936   1.10325   1.10435
 Alpha virt. eigenvalues --    1.10773   1.10951   1.11146   1.11401   1.11590
 Alpha virt. eigenvalues --    1.11801   1.12027   1.12243   1.12361   1.12636
 Alpha virt. eigenvalues --    1.12744   1.13123   1.13365   1.13492   1.13712
 Alpha virt. eigenvalues --    1.13771   1.14074   1.14146   1.14306   1.14666
 Alpha virt. eigenvalues --    1.14795   1.15213   1.15399   1.15482   1.15737
 Alpha virt. eigenvalues --    1.16043   1.16377   1.16616   1.16992   1.17222
 Alpha virt. eigenvalues --    1.17446   1.17767   1.17915   1.18282   1.18328
 Alpha virt. eigenvalues --    1.18648   1.18838   1.18888   1.19211   1.19586
 Alpha virt. eigenvalues --    1.19717   1.19985   1.20161   1.20375   1.20620
 Alpha virt. eigenvalues --    1.20953   1.21058   1.21295   1.21666   1.21770
 Alpha virt. eigenvalues --    1.21898   1.22080   1.22297   1.22747   1.23324
 Alpha virt. eigenvalues --    1.23441   1.23548   1.24205   1.24377   1.24805
 Alpha virt. eigenvalues --    1.24965   1.25226   1.25433   1.25687   1.25905
 Alpha virt. eigenvalues --    1.26190   1.26466   1.26731   1.27152   1.27414
 Alpha virt. eigenvalues --    1.27553   1.28348   1.28473   1.28888   1.29133
 Alpha virt. eigenvalues --    1.29157   1.29755   1.29911   1.30156   1.30831
 Alpha virt. eigenvalues --    1.30971   1.31351   1.31420   1.31759   1.31919
 Alpha virt. eigenvalues --    1.32442   1.33012   1.33125   1.33425   1.33578
 Alpha virt. eigenvalues --    1.34356   1.34583   1.34696   1.35068   1.35637
 Alpha virt. eigenvalues --    1.35945   1.36196   1.36342   1.36660   1.37179
 Alpha virt. eigenvalues --    1.37529   1.37852   1.38028   1.38202   1.38424
 Alpha virt. eigenvalues --    1.38648   1.39216   1.39400   1.39695   1.40137
 Alpha virt. eigenvalues --    1.40851   1.41039   1.41317   1.41578   1.41798
 Alpha virt. eigenvalues --    1.42310   1.42460   1.42894   1.43391   1.43761
 Alpha virt. eigenvalues --    1.43920   1.44577   1.45187   1.45552   1.45671
 Alpha virt. eigenvalues --    1.46307   1.46575   1.47597   1.47902   1.48369
 Alpha virt. eigenvalues --    1.48978   1.49222   1.49496   1.49759   1.50206
 Alpha virt. eigenvalues --    1.50359   1.51078   1.51408   1.51778   1.51874
 Alpha virt. eigenvalues --    1.52265   1.52928   1.52956   1.53511   1.53849
 Alpha virt. eigenvalues --    1.54117   1.54300   1.54718   1.55190   1.55902
 Alpha virt. eigenvalues --    1.56082   1.56407   1.56463   1.56980   1.57684
 Alpha virt. eigenvalues --    1.57964   1.58250   1.59069   1.59646   1.59849
 Alpha virt. eigenvalues --    1.60076   1.60234   1.60910   1.61162   1.62049
 Alpha virt. eigenvalues --    1.62128   1.62604   1.63468   1.63588   1.64096
 Alpha virt. eigenvalues --    1.64379   1.64504   1.65333   1.65859   1.66235
 Alpha virt. eigenvalues --    1.66514   1.67063   1.67320   1.67465   1.68146
 Alpha virt. eigenvalues --    1.68459   1.68785   1.69533   1.69661   1.69750
 Alpha virt. eigenvalues --    1.70060   1.70463   1.70888   1.71312   1.71591
 Alpha virt. eigenvalues --    1.72412   1.72570   1.72877   1.73350   1.74209
 Alpha virt. eigenvalues --    1.74359   1.74811   1.75235   1.75780   1.76075
 Alpha virt. eigenvalues --    1.76370   1.76643   1.76957   1.77329   1.77822
 Alpha virt. eigenvalues --    1.78111   1.78134   1.78875   1.79227   1.79723
 Alpha virt. eigenvalues --    1.80110   1.80400   1.80514   1.81236   1.81406
 Alpha virt. eigenvalues --    1.82251   1.82793   1.83294   1.83568   1.83999
 Alpha virt. eigenvalues --    1.84014   1.84708   1.84745   1.85039   1.85188
 Alpha virt. eigenvalues --    1.85598   1.85984   1.86285   1.86470   1.86823
 Alpha virt. eigenvalues --    1.87116   1.87786   1.87867   1.88230   1.88672
 Alpha virt. eigenvalues --    1.89008   1.89236   1.89306   1.89647   1.89996
 Alpha virt. eigenvalues --    1.90348   1.90500   1.90532   1.90879   1.91460
 Alpha virt. eigenvalues --    1.92047   1.92250   1.92589   1.92869   1.93015
 Alpha virt. eigenvalues --    1.93412   1.93437   1.93879   1.94417   1.94740
 Alpha virt. eigenvalues --    1.94790   1.95130   1.95560   1.95741   1.96096
 Alpha virt. eigenvalues --    1.96245   1.96410   1.96854   1.96891   1.97414
 Alpha virt. eigenvalues --    1.97702   1.97856   1.98158   1.98424   1.98739
 Alpha virt. eigenvalues --    1.99153   1.99556   1.99889   2.00144   2.00371
 Alpha virt. eigenvalues --    2.00729   2.01136   2.01700   2.01899   2.01949
 Alpha virt. eigenvalues --    2.02176   2.02542   2.03000   2.03483   2.03710
 Alpha virt. eigenvalues --    2.03757   2.04217   2.04866   2.04923   2.05103
 Alpha virt. eigenvalues --    2.05513   2.05750   2.06114   2.06710   2.07171
 Alpha virt. eigenvalues --    2.07490   2.07760   2.08035   2.08612   2.08737
 Alpha virt. eigenvalues --    2.08938   2.09726   2.09850   2.10440   2.10517
 Alpha virt. eigenvalues --    2.11498   2.11935   2.12141   2.12581   2.12959
 Alpha virt. eigenvalues --    2.13125   2.13353   2.13654   2.13770   2.14191
 Alpha virt. eigenvalues --    2.14636   2.15312   2.15471   2.15925   2.16499
 Alpha virt. eigenvalues --    2.16716   2.16845   2.17252   2.18032   2.18318
 Alpha virt. eigenvalues --    2.18352   2.18655   2.19220   2.19476   2.20069
 Alpha virt. eigenvalues --    2.20289   2.20606   2.21502   2.21799   2.22438
 Alpha virt. eigenvalues --    2.22923   2.23119   2.23595   2.23795   2.24238
 Alpha virt. eigenvalues --    2.24710   2.25214   2.25465   2.26112   2.26619
 Alpha virt. eigenvalues --    2.26982   2.27110   2.27350   2.27822   2.28545
 Alpha virt. eigenvalues --    2.29040   2.29907   2.30030   2.30622   2.30991
 Alpha virt. eigenvalues --    2.31082   2.31496   2.31802   2.32021   2.32644
 Alpha virt. eigenvalues --    2.33618   2.33748   2.34243   2.34551   2.35179
 Alpha virt. eigenvalues --    2.35500   2.35791   2.36065   2.36616   2.37132
 Alpha virt. eigenvalues --    2.37571   2.37703   2.37915   2.38226   2.38944
 Alpha virt. eigenvalues --    2.39515   2.39567   2.40067   2.41070   2.41489
 Alpha virt. eigenvalues --    2.41584   2.42790   2.42983   2.43707   2.43888
 Alpha virt. eigenvalues --    2.44437   2.45077   2.45577   2.45716   2.45942
 Alpha virt. eigenvalues --    2.46274   2.46995   2.47563   2.48169   2.49173
 Alpha virt. eigenvalues --    2.49802   2.50257   2.50462   2.50695   2.51802
 Alpha virt. eigenvalues --    2.51913   2.52302   2.52870   2.53249   2.53561
 Alpha virt. eigenvalues --    2.53863   2.54633   2.54687   2.55105   2.55491
 Alpha virt. eigenvalues --    2.55727   2.56301   2.56611   2.56887   2.57506
 Alpha virt. eigenvalues --    2.57604   2.58017   2.58207   2.59078   2.59248
 Alpha virt. eigenvalues --    2.59715   2.60170   2.60578   2.60878   2.61257
 Alpha virt. eigenvalues --    2.61504   2.61925   2.62647   2.62757   2.63290
 Alpha virt. eigenvalues --    2.63885   2.64029   2.64974   2.65520   2.65923
 Alpha virt. eigenvalues --    2.66505   2.67220   2.67590   2.68365   2.69156
 Alpha virt. eigenvalues --    2.69207   2.69379   2.69868   2.70318   2.70504
 Alpha virt. eigenvalues --    2.70889   2.71005   2.71835   2.72061   2.72550
 Alpha virt. eigenvalues --    2.72802   2.73512   2.73530   2.73765   2.74752
 Alpha virt. eigenvalues --    2.74844   2.75218   2.75671   2.75991   2.76413
 Alpha virt. eigenvalues --    2.76567   2.76977   2.77266   2.77912   2.78386
 Alpha virt. eigenvalues --    2.78536   2.79032   2.79223   2.79479   2.80083
 Alpha virt. eigenvalues --    2.80267   2.80543   2.81179   2.81506   2.82011
 Alpha virt. eigenvalues --    2.82294   2.82892   2.83053   2.83537   2.83956
 Alpha virt. eigenvalues --    2.84011   2.84173   2.84490   2.85366   2.85612
 Alpha virt. eigenvalues --    2.85863   2.86812   2.87084   2.87396   2.87655
 Alpha virt. eigenvalues --    2.87909   2.88051   2.88939   2.89361   2.89482
 Alpha virt. eigenvalues --    2.90143   2.90547   2.91020   2.91339   2.91582
 Alpha virt. eigenvalues --    2.92057   2.92380   2.92742   2.93101   2.93340
 Alpha virt. eigenvalues --    2.93577   2.94022   2.94532   2.94809   2.95197
 Alpha virt. eigenvalues --    2.95278   2.96086   2.96261   2.96837   2.97059
 Alpha virt. eigenvalues --    2.98247   2.98524   2.98766   2.99159   2.99471
 Alpha virt. eigenvalues --    2.99739   3.00231   3.00550   3.00938   3.01302
 Alpha virt. eigenvalues --    3.01755   3.02086   3.02339   3.03160   3.03248
 Alpha virt. eigenvalues --    3.03624   3.04090   3.04503   3.04723   3.04909
 Alpha virt. eigenvalues --    3.05552   3.05885   3.06248   3.07110   3.07347
 Alpha virt. eigenvalues --    3.07402   3.08066   3.08299   3.08487   3.09097
 Alpha virt. eigenvalues --    3.09344   3.09710   3.09819   3.10280   3.10291
 Alpha virt. eigenvalues --    3.10610   3.11077   3.11336   3.11862   3.12381
 Alpha virt. eigenvalues --    3.12593   3.12906   3.13131   3.13178   3.13579
 Alpha virt. eigenvalues --    3.13687   3.14098   3.14468   3.14875   3.14912
 Alpha virt. eigenvalues --    3.15366   3.15576   3.15851   3.16006   3.16371
 Alpha virt. eigenvalues --    3.16534   3.17115   3.17284   3.17338   3.17824
 Alpha virt. eigenvalues --    3.18179   3.18411   3.18557   3.18838   3.19173
 Alpha virt. eigenvalues --    3.19344   3.19711   3.20119   3.20183   3.20607
 Alpha virt. eigenvalues --    3.20829   3.21325   3.21377   3.21664   3.22099
 Alpha virt. eigenvalues --    3.22497   3.22860   3.23058   3.23410   3.23447
 Alpha virt. eigenvalues --    3.23773   3.24107   3.24575   3.25141   3.25360
 Alpha virt. eigenvalues --    3.25532   3.25725   3.25924   3.26406   3.26660
 Alpha virt. eigenvalues --    3.26775   3.27185   3.27323   3.27608   3.27711
 Alpha virt. eigenvalues --    3.28232   3.28809   3.29006   3.29367   3.29693
 Alpha virt. eigenvalues --    3.29844   3.30163   3.30424   3.30883   3.31382
 Alpha virt. eigenvalues --    3.31746   3.31890   3.32248   3.32622   3.32788
 Alpha virt. eigenvalues --    3.32940   3.33160   3.33454   3.34203   3.34491
 Alpha virt. eigenvalues --    3.34830   3.34958   3.35007   3.35463   3.35733
 Alpha virt. eigenvalues --    3.35931   3.36528   3.36826   3.37096   3.37504
 Alpha virt. eigenvalues --    3.37884   3.38227   3.38634   3.38936   3.39416
 Alpha virt. eigenvalues --    3.39726   3.39915   3.40652   3.40955   3.41222
 Alpha virt. eigenvalues --    3.41504   3.41925   3.41974   3.42483   3.42615
 Alpha virt. eigenvalues --    3.43143   3.43465   3.43626   3.44130   3.44595
 Alpha virt. eigenvalues --    3.44840   3.45140   3.45345   3.45807   3.46200
 Alpha virt. eigenvalues --    3.46315   3.46589   3.47137   3.47673   3.47727
 Alpha virt. eigenvalues --    3.48440   3.48637   3.48863   3.49287   3.49797
 Alpha virt. eigenvalues --    3.50282   3.50895   3.51299   3.51562   3.51894
 Alpha virt. eigenvalues --    3.52043   3.52267   3.52894   3.53578   3.53743
 Alpha virt. eigenvalues --    3.54013   3.54900   3.55100   3.55590   3.55831
 Alpha virt. eigenvalues --    3.56178   3.56354   3.56835   3.57632   3.58128
 Alpha virt. eigenvalues --    3.58261   3.58492   3.58920   3.59004   3.59488
 Alpha virt. eigenvalues --    3.59941   3.60167   3.60428   3.60921   3.61141
 Alpha virt. eigenvalues --    3.61581   3.61912   3.62072   3.62333   3.62550
 Alpha virt. eigenvalues --    3.62944   3.63508   3.63842   3.64254   3.64462
 Alpha virt. eigenvalues --    3.64617   3.65002   3.65446   3.65568   3.65792
 Alpha virt. eigenvalues --    3.65934   3.66422   3.67060   3.67554   3.67811
 Alpha virt. eigenvalues --    3.68198   3.68518   3.68873   3.68985   3.69934
 Alpha virt. eigenvalues --    3.70630   3.71228   3.71442   3.72305   3.72785
 Alpha virt. eigenvalues --    3.73064   3.73384   3.74162   3.74608   3.74848
 Alpha virt. eigenvalues --    3.75090   3.75457   3.75787   3.76122   3.76513
 Alpha virt. eigenvalues --    3.77202   3.77589   3.77997   3.78497   3.78735
 Alpha virt. eigenvalues --    3.79437   3.79708   3.80738   3.80842   3.81252
 Alpha virt. eigenvalues --    3.82039   3.82402   3.82547   3.83559   3.84270
 Alpha virt. eigenvalues --    3.84956   3.85742   3.86146   3.86663   3.86879
 Alpha virt. eigenvalues --    3.87342   3.87603   3.88011   3.88337   3.89462
 Alpha virt. eigenvalues --    3.89755   3.90519   3.90859   3.90891   3.91391
 Alpha virt. eigenvalues --    3.91404   3.92705   3.92772   3.94018   3.94292
 Alpha virt. eigenvalues --    3.94799   3.95071   3.95838   3.96455   3.96657
 Alpha virt. eigenvalues --    3.97151   3.97476   3.98206   3.99211   3.99448
 Alpha virt. eigenvalues --    4.00031   4.00656   4.01241   4.02358   4.02566
 Alpha virt. eigenvalues --    4.03415   4.04978   4.05467   4.05886   4.06358
 Alpha virt. eigenvalues --    4.06621   4.07410   4.07733   4.08457   4.08921
 Alpha virt. eigenvalues --    4.09177   4.09545   4.09854   4.10549   4.10999
 Alpha virt. eigenvalues --    4.11138   4.11528   4.11992   4.12384   4.12930
 Alpha virt. eigenvalues --    4.13640   4.13915   4.14154   4.14531   4.15269
 Alpha virt. eigenvalues --    4.16305   4.16498   4.16602   4.16929   4.17904
 Alpha virt. eigenvalues --    4.18540   4.18978   4.19088   4.19550   4.19918
 Alpha virt. eigenvalues --    4.20769   4.22200   4.23718   4.23907   4.23993
 Alpha virt. eigenvalues --    4.24872   4.25197   4.25491   4.25996   4.26518
 Alpha virt. eigenvalues --    4.26877   4.26955   4.27559   4.27939   4.28214
 Alpha virt. eigenvalues --    4.28711   4.28899   4.29310   4.29676   4.30281
 Alpha virt. eigenvalues --    4.30601   4.31069   4.31401   4.31706   4.32061
 Alpha virt. eigenvalues --    4.32364   4.32813   4.33005   4.33135   4.33567
 Alpha virt. eigenvalues --    4.33603   4.33934   4.34205   4.34301   4.34668
 Alpha virt. eigenvalues --    4.35367   4.35762   4.36227   4.36561   4.36685
 Alpha virt. eigenvalues --    4.37018   4.37372   4.37915   4.38298   4.38507
 Alpha virt. eigenvalues --    4.39202   4.39209   4.39314   4.39735   4.40176
 Alpha virt. eigenvalues --    4.40787   4.41456   4.41760   4.42214   4.42409
 Alpha virt. eigenvalues --    4.43399   4.44754   4.45370   4.45771   4.47082
 Alpha virt. eigenvalues --    4.47557   4.47611   4.48055   4.48218   4.48894
 Alpha virt. eigenvalues --    4.49366   4.49862   4.50117   4.50274   4.50860
 Alpha virt. eigenvalues --    4.51332   4.52454   4.52831   4.53790   4.54434
 Alpha virt. eigenvalues --    4.55145   4.56593   4.57192   4.57768   4.58103
 Alpha virt. eigenvalues --    4.58226   4.58915   4.59592   4.59746   4.60194
 Alpha virt. eigenvalues --    4.60880   4.61322   4.61994   4.63048   4.63903
 Alpha virt. eigenvalues --    4.64094   4.64985   4.65465   4.66666   4.66796
 Alpha virt. eigenvalues --    4.67553   4.68073   4.68399   4.69211   4.69652
 Alpha virt. eigenvalues --    4.70096   4.70483   4.70551   4.71099   4.72213
 Alpha virt. eigenvalues --    4.72325   4.72964   4.73761   4.74129   4.74612
 Alpha virt. eigenvalues --    4.74782   4.75561   4.76355   4.76987   4.77364
 Alpha virt. eigenvalues --    4.77531   4.78119   4.78686   4.79244   4.79847
 Alpha virt. eigenvalues --    4.80388   4.80920   4.81722   4.82075   4.82324
 Alpha virt. eigenvalues --    4.82966   4.83152   4.83311   4.83667   4.84350
 Alpha virt. eigenvalues --    4.84498   4.84810   4.84815   4.85928   4.86196
 Alpha virt. eigenvalues --    4.86652   4.87309   4.89520   4.89690   4.90179
 Alpha virt. eigenvalues --    4.91410   4.93192   4.93377   4.93689   4.94004
 Alpha virt. eigenvalues --    4.94939   4.95329   4.96081   4.96459   4.97071
 Alpha virt. eigenvalues --    4.97674   4.97998   4.98207   4.98443   4.98585
 Alpha virt. eigenvalues --    4.99292   4.99461   5.00435   5.00615   5.01405
 Alpha virt. eigenvalues --    5.01997   5.02171   5.03024   5.03163   5.03661
 Alpha virt. eigenvalues --    5.04341   5.04612   5.04657   5.04796   5.05051
 Alpha virt. eigenvalues --    5.05226   5.05523   5.06123   5.06430   5.06557
 Alpha virt. eigenvalues --    5.07012   5.07082   5.07218   5.07582   5.08123
 Alpha virt. eigenvalues --    5.08737   5.08861   5.09317   5.09860   5.10104
 Alpha virt. eigenvalues --    5.10269   5.10946   5.10987   5.11328   5.11569
 Alpha virt. eigenvalues --    5.12094   5.12767   5.12907   5.13309   5.13723
 Alpha virt. eigenvalues --    5.14110   5.14691   5.14973   5.15260   5.16280
 Alpha virt. eigenvalues --    5.16323   5.16948   5.17256   5.17640   5.17809
 Alpha virt. eigenvalues --    5.18282   5.18623   5.18961   5.20969   5.21510
 Alpha virt. eigenvalues --    5.22032   5.22764   5.23109   5.23893   5.24209
 Alpha virt. eigenvalues --    5.24973   5.25757   5.26432   5.26557   5.27200
 Alpha virt. eigenvalues --    5.27657   5.27887   5.29525   5.30819   5.31519
 Alpha virt. eigenvalues --    5.32128   5.32827   5.33100   5.35158   5.35587
 Alpha virt. eigenvalues --    5.36382   5.36612   5.38607   5.38784   5.41338
 Alpha virt. eigenvalues --    5.43061   5.46080   5.46279   5.46911   5.47406
 Alpha virt. eigenvalues --    5.48457   5.48677   5.49122   5.51445   5.52043
 Alpha virt. eigenvalues --    5.53146   5.54303   5.54398   5.55144   5.55525
 Alpha virt. eigenvalues --    5.55767   5.55940   5.56219   5.57430   5.57843
 Alpha virt. eigenvalues --    5.58286   5.58697   5.59110   5.59367   5.59497
 Alpha virt. eigenvalues --    5.59955   5.60958   5.61758   5.62124   5.63374
 Alpha virt. eigenvalues --    5.63823   5.64802   5.65468   5.65678   5.67019
 Alpha virt. eigenvalues --    5.68855   5.69177   5.70832   5.71445   5.71805
 Alpha virt. eigenvalues --    5.72293   5.72693   5.73655   5.73912   5.75333
 Alpha virt. eigenvalues --    5.75861   5.76404   5.76755   5.77559   5.77989
 Alpha virt. eigenvalues --    5.80681   5.83521   5.83680   5.85086   5.85152
 Alpha virt. eigenvalues --    5.88894   5.89172   5.90010   5.93456   5.95508
 Alpha virt. eigenvalues --    5.99624   6.00417   6.03029   6.04248   6.05706
 Alpha virt. eigenvalues --    6.08142   6.09298   6.14797   6.17566   6.20211
 Alpha virt. eigenvalues --    6.20897   6.22039   6.23368   6.24406   6.24869
 Alpha virt. eigenvalues --    6.33282   6.33616   6.34797   6.36223   6.36778
 Alpha virt. eigenvalues --    6.37215   6.37665   6.41919   6.44302   6.46049
 Alpha virt. eigenvalues --    6.46088   6.48402   6.54595   6.67874   6.69010
 Alpha virt. eigenvalues --    6.69245   6.70580   6.71476   6.75114   6.80926
 Alpha virt. eigenvalues --    6.82747   6.88476   6.89501   6.90251   6.93529
 Alpha virt. eigenvalues --    7.09907   7.12781   7.14081   7.20264   7.26609
 Alpha virt. eigenvalues --    7.34275   7.37721   7.39051   7.40818   7.42630
 Alpha virt. eigenvalues --    7.43123   7.43580   7.44526   7.45887   7.48619
 Alpha virt. eigenvalues --    7.49890   7.50639   7.51671   7.53226   7.54111
 Alpha virt. eigenvalues --    7.54528   7.55409   7.55591   7.55995   7.56138
 Alpha virt. eigenvalues --    7.56383   7.57043   7.57532   7.57875   7.58086
 Alpha virt. eigenvalues --    7.58711   7.59736   7.61360   7.61624   7.64755
 Alpha virt. eigenvalues --    7.65405   7.66063   7.66648   7.68768   7.69488
 Alpha virt. eigenvalues --    7.69856   7.70693   7.71673   7.72226   7.72890
 Alpha virt. eigenvalues --    7.74735   7.75213   7.75604   7.76354   7.76717
 Alpha virt. eigenvalues --    7.78079   7.78139   7.78427   7.79613   7.80486
 Alpha virt. eigenvalues --    7.82953   7.83822   7.84077   7.84297   7.86212
 Alpha virt. eigenvalues --    7.88339   7.88987   7.91023   7.91272   7.92269
 Alpha virt. eigenvalues --    7.93325   7.94000   7.95634   7.96265   7.97028
 Alpha virt. eigenvalues --    7.98134   7.98770   7.99331   8.00407   8.00772
 Alpha virt. eigenvalues --    8.00926   8.01091   8.02157   8.03280   8.04652
 Alpha virt. eigenvalues --    8.05057   8.05560   8.06347   8.06796   8.07504
 Alpha virt. eigenvalues --    8.08474   8.08627   8.08887   8.09639   8.09951
 Alpha virt. eigenvalues --    8.11288   8.12181   8.12893   8.14632   8.15384
 Alpha virt. eigenvalues --    8.16127   8.17802   8.21495   8.22329   8.22874
 Alpha virt. eigenvalues --    8.26254   8.26419   8.27856   8.29162   8.29272
 Alpha virt. eigenvalues --    8.31938   8.38784   8.39869   8.43521   8.47378
 Alpha virt. eigenvalues --    8.48893   8.49148   8.49496   8.50000   8.50403
 Alpha virt. eigenvalues --    8.51192   8.51736   8.53281   8.53319   8.53876
 Alpha virt. eigenvalues --    8.54343   8.54547   8.54973   8.55959   8.56099
 Alpha virt. eigenvalues --    8.56260   8.56498   8.57020   8.57698   8.58259
 Alpha virt. eigenvalues --    8.58988   8.59401   8.60372   8.60671   8.60956
 Alpha virt. eigenvalues --    8.61207   8.61937   8.62288   8.63045   8.63228
 Alpha virt. eigenvalues --    8.63539   8.63888   8.65031   8.65435   8.66169
 Alpha virt. eigenvalues --    8.66453   8.66894   8.67408   8.68300   8.68884
 Alpha virt. eigenvalues --    8.69519   8.69895   8.70671   8.71247   8.71790
 Alpha virt. eigenvalues --    8.72442   8.72754   8.74891   8.75914   8.76564
 Alpha virt. eigenvalues --    8.76774   8.77371   8.78056   8.78302   8.78448
 Alpha virt. eigenvalues --    8.79237   8.79875   8.80313   8.80819   8.81284
 Alpha virt. eigenvalues --    8.81461   8.82113   8.82166   8.82663   8.83187
 Alpha virt. eigenvalues --    8.83599   8.83999   8.84092   8.84519   8.85128
 Alpha virt. eigenvalues --    8.85655   8.85766   8.86655   8.87020   8.87406
 Alpha virt. eigenvalues --    8.87753   8.88193   8.88848   8.89597   8.90562
 Alpha virt. eigenvalues --    8.90691   8.91091   8.91266   8.91941   8.92710
 Alpha virt. eigenvalues --    8.93360   8.93569   8.93616   8.94527   8.94956
 Alpha virt. eigenvalues --    8.96099   8.97400   8.98789   9.01956   9.02940
 Alpha virt. eigenvalues --    9.04944   9.05446   9.07035   9.08653   9.10273
 Alpha virt. eigenvalues --    9.18279   9.20497   9.42045   9.43247   9.47189
 Alpha virt. eigenvalues --    9.48209   9.49153   9.50327   9.52391   9.54439
 Alpha virt. eigenvalues --    9.54863   9.55649   9.68241   9.68831   9.70771
 Alpha virt. eigenvalues --    9.72187   9.73960   9.74300   9.78378   9.78859
 Alpha virt. eigenvalues --    9.80156   9.81387   9.84548   9.85715   9.86332
 Alpha virt. eigenvalues --    9.86726   9.88019   9.88797   9.88851   9.89149
 Alpha virt. eigenvalues --    9.89572   9.89842   9.90246   9.90524   9.91123
 Alpha virt. eigenvalues --    9.92203   9.92526   9.92814   9.93427   9.93950
 Alpha virt. eigenvalues --    9.94226   9.95237   9.97391   9.98256  10.08528
 Alpha virt. eigenvalues --   10.66713  10.67118  10.68028  10.68392  10.69603
 Alpha virt. eigenvalues --   10.71714  10.73554  10.75531  10.75580  10.76041
 Alpha virt. eigenvalues --   10.76468  10.77237  10.82952  10.83898  10.84655
 Alpha virt. eigenvalues --   10.85476  10.87003  10.88201  10.90314  11.03845
 Alpha virt. eigenvalues --   11.04536  11.06821  11.07087  11.07577  11.33336
 Alpha virt. eigenvalues --   11.33621  11.34523  11.41991  11.43197  11.44587
 Alpha virt. eigenvalues --   11.54133  11.54531  11.59396  11.60342  11.61763
 Alpha virt. eigenvalues --   11.68518  11.73429  12.07999  12.08322  12.09134
 Alpha virt. eigenvalues --   14.57701  14.61313  14.63968  14.66364  14.66745
 Alpha virt. eigenvalues --   14.70433  14.72436  14.75512  14.80881  14.81508
 Alpha virt. eigenvalues --   14.83933  14.85553  14.87540  14.96633  14.97609
 Alpha virt. eigenvalues --   14.99236  15.00146  15.00571  15.10793  15.19618
 Alpha virt. eigenvalues --   15.30355  15.35096  15.35844  15.55575  15.79343
 Alpha virt. eigenvalues --   25.10725  25.12619  25.13204  25.15988  25.19731
 Alpha virt. eigenvalues --   25.24583  25.86161  25.88599  25.90095  25.92068
 Alpha virt. eigenvalues --   25.93039  25.93489  25.95740  26.02154  26.03488
 Alpha virt. eigenvalues --   26.05954  26.06095  26.16050  26.29120  26.34213
 Alpha virt. eigenvalues --   26.39836  26.41008  26.42638  26.48332  36.44523
 Alpha virt. eigenvalues --   36.45845  36.46117  36.90712  36.94363  36.94535
 Alpha virt. eigenvalues --   36.96201  36.96380  50.52240  50.56128  50.59839
 Alpha virt. eigenvalues --   50.65740  50.88308
          Condensed to atoms (all electrons):
 Mulliken charges:
               1
     1  C   -0.317096
     2  C   -0.087656
     3  C    0.954102
     4  C   -0.242398
     5  N   -1.184835
     6  C    0.712746
     7  N   -0.298689
     8  C    0.213736
     9  C   -0.104653
    10  C    0.176412
    11  C    0.648102
    12  O   -0.684512
    13  O   -0.852702
    14  C   -0.177913
    15  C    0.100017
    16  C    0.485243
    17  C    0.011175
    18  N   -1.155736
    19  C    0.766112
    20  N   -0.297811
    21  C   -0.205661
    22  C    0.088283
    23  C    0.456080
    24  C    0.036400
    25  N   -1.125938
    26  C    0.613556
    27  N   -0.184595
    28  H    0.019143
    29  H    0.058209
    30  H   -0.008553
    31  H   -0.053462
    32  H   -0.012973
    33  H    0.004096
    34  H    0.339343
    35  H    0.048935
    36  H   -0.261574
    37  H   -0.026808
    38  H   -0.071035
    39  H    0.047542
    40  H    0.005576
    41  H   -0.097959
    42  H    0.034331
    43  H    0.021555
    44  H    0.047784
    45  H    0.006702
    46  H   -0.034394
    47  H   -0.005245
    48  H   -0.162046
    49  H    0.356320
    50  H    0.034791
    51  H    0.016664
    52  H   -0.011223
    53  H    0.042409
    54  H   -0.032941
    55  H    0.002162
    56  H   -0.065842
    57  H    0.344391
    58  H   -0.000654
    59  O   -1.254833
    60  H    0.485911
    61  H    0.917359
    62  C    0.842991
    63  O   -0.540815
    64  N   -0.836899
    65  C    0.215747
    66  C    0.727606
    67  O   -0.434347
    68  N   -0.772810
    69  H    0.128445
    70  H   -0.094571
    71  H    0.293194
    72  H    0.259144
    73  C    0.321966
    74  H   -0.092989
    75  H    0.030923
    76  H    0.100353
    77  C   -0.211344
    78  H    0.009406
    79  H    0.025035
    80  H   -0.046486
 Sum of Mulliken charges =  -1.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.248297
     2  C   -0.154090
     3  C    0.954102
     4  C   -0.238301
     5  N   -0.845492
     6  C    0.761680
     7  N   -0.298689
     8  C   -0.145681
     9  C   -0.051535
    10  C    0.112784
    11  C    0.648102
    12  O   -0.684512
    13  O    0.064657
    14  C   -0.101872
    15  C    0.060378
    16  C    0.485243
    17  C   -0.150871
    18  N   -0.799416
    19  C    0.800903
    20  N   -0.297811
    21  C   -0.157811
    22  C    0.057504
    23  C    0.456080
    24  C   -0.029442
    25  N   -0.781547
    26  C    0.612902
    27  N   -0.184595
    59  O   -0.768921
    62  C    0.842991
    63  O   -0.540815
    64  N   -0.543705
    65  C    0.249622
    66  C    0.727606
    67  O   -0.434347
    68  N   -0.513666
    73  C    0.360252
    77  C   -0.223390
 Electronic spatial extent (au):  <R**2>=          20731.5934
 Charge=             -1.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              5.6931    Y=             -2.5300    Z=             -3.9585  Tot=              7.3812
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -237.8422   YY=           -217.6602   ZZ=           -227.5097
   XY=             14.8586   XZ=              3.8907   YZ=             -2.4820
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -10.1715   YY=             10.0105   ZZ=              0.1610
   XY=             14.8586   XZ=              3.8907   YZ=             -2.4820
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            183.0139  YYY=            134.6925  ZZZ=             16.8476  XYY=             57.4602
  XXY=             34.1288  XXZ=            -64.1434  XZZ=             63.2527  YZZ=            -24.2520
  YYZ=            -51.7093  XYZ=             11.4894
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=         -13928.1827 YYYY=          -7814.3397 ZZZZ=          -6180.0254 XXXY=            178.9583
 XXXZ=           -138.0953 YYYX=            225.8478 YYYZ=             40.0262 ZZZX=            110.0183
 ZZZY=             50.5353 XXYY=          -3689.6997 XXZZ=          -3355.7822 YYZZ=          -2465.9728
 XXYZ=            -50.0443 YYXZ=             19.7684 ZZXY=             -1.3728
 N-N= 4.405461344494D+03 E-N=-1.294140845847D+04  KE= 1.744465557384D+03
 1\1\GINC-LONG-70A4001LUX\SP\RB3PW91\6-311++G(3df,3pd)\C24H43N8O5(1-)\L
 ONG\30-Jun-2020\0\\# b3pw91/6-311++g(3df,3pd) geom=connectivity\\5h8x\
 \-1,1\C,-1,-4.564676,-3.12347,-2.583259\C,0,-3.837358,-1.894681,-3.193
 229\C,0,-2.475268,-1.64938,-2.605096\C,0,-1.975629,-0.634848,-1.800714
 \N,0,-1.397553,-2.530735,-2.78496\C,0,-0.309805,-2.038619,-2.103149\N,
 0,-0.628694,-0.889379,-1.491621\C,-1,-5.356854,-0.392564,0.173013\C,0,
 -5.860702,0.86654,0.911557\C,0,-5.112477,2.157443,0.487768\C,0,-3.626,
 2.033824,0.778305\O,0,-3.175887,1.771147,1.9267\O,0,-2.813359,2.168439
 ,-0.299275\C,-1,-2.482398,-2.86511,4.090774\C,0,-1.079599,-2.468018,4.
 600927\C,0,-0.258899,-1.728158,3.576155\C,0,-0.421486,-1.513351,2.2165
 79\N,0,0.925435,-1.045404,3.90538\C,0,1.430201,-0.443973,2.778538\N,0,
 0.632392,-0.717614,1.736409\C,-1,4.158331,-4.730379,-0.472134\C,0,4.79
 6741,-3.513229,-1.173153\C,0,3.902316,-2.303357,-1.153504\C,0,2.781585
 ,-1.985777,-0.401605\N,0,4.101773,-1.189392,-1.986619\C,0,3.124534,-0.
 259043,-1.731525\N,0,2.312439,-0.719476,-0.773606\H,0,-5.556653,-3.240
 462,-3.035315\H,0,-4.692847,-3.001544,-1.501964\H,0,-4.008108,-4.05413
 3,-2.758041\H,0,-4.442909,-0.997169,-3.027668\H,0,-3.760819,-2.020686,
 -4.283501\H,0,-2.48484,0.243373,-1.436374\H,0,-1.419719,-3.38406,-3.32
 8238\H,0,0.651966,-2.523323,-2.07768\H,0,-4.301475,-0.589255,0.400388\
 H,0,-5.458656,-0.2758,-0.914895\H,0,-5.936723,-1.27528,0.473249\H,0,-6
 .933228,1.004813,0.717902\H,0,-5.739143,0.731777,1.993629\H,0,-5.25460
 4,2.362187,-0.578473\H,0,-5.508251,3.007553,1.059356\H,0,-3.058775,-1.
 979945,3.797434\H,0,-3.035613,-3.38809,4.878724\H,0,-2.416174,-3.53765
 2,3.226126\H,0,-1.191285,-1.835732,5.494411\H,0,-0.541615,-3.372025,4.
 924856\H,0,-1.220046,-1.840136,1.571902\H,0,1.324479,-0.978025,4.83325
 7\H,0,2.298733,0.19568,2.737629\H,0,3.952395,-4.518391,0.584161\H,0,3.
 217067,-5.01841,-0.955704\H,0,4.836595,-5.589846,-0.510978\H,0,5.0353,
 -3.777114,-2.21425\H,0,5.754274,-3.276039,-0.685924\H,0,2.295375,-2.55
 8391,0.369639\H,0,4.840919,-1.092895,-2.671555\H,0,3.012918,0.692767,-
 2.222544\O,0,-0.644295,1.464058,0.526442\H,0,-0.91466,1.335299,1.46118
 1\H,0,-1.757794,1.892868,-0.011629\C,0,3.653515,2.722964,0.983641\O,0,
 3.02938,1.836251,1.626649\N,0,3.001783,3.688235,0.249862\C,0,1.544867,
 3.788352,0.188624\C,0,0.939167,3.114924,-1.050966\O,0,1.317198,1.94933
 ,-1.410388\N,0,-0.026733,3.803707,-1.698001\H,0,1.124135,3.252477,1.04
 6469\H,0,1.246395,4.841739,0.252615\H,0,3.554295,4.363626,-0.264125\H,
 0,-0.299847,4.709183,-1.330194\C,0,-0.853272,3.240458,-2.781166\H,0,-0
 .8631,3.921282,-3.639416\H,0,-0.421454,2.283768,-3.080662\H,0,-1.87398
 1,3.076216,-2.418198\C,0,5.17206,2.802757,0.993442\H,0,5.51113,3.04646
 7,2.00707\H,0,5.584902,1.821156,0.738694\H,0,5.57249,3.551329,0.301475
 \\Version=ES64L-G09RevD.01\State=1-A\HF=-1754.5177171\RMSD=4.599e-09\D
 ipole=2.2382124,-1.0014462,-1.5558302\Quadrupole=-7.4784062,7.3570708,
 0.1213354,11.106739,2.8963233,-1.8232421\PG=C01 [X(C24H43N8O5)]\\@


 EDUCATION WITHOUT COMMON SENSE IS A LOAD OF BOOKS ON THE BACK OF AN ASS.
 Job cpu time:       1 days 22 hours 16 minutes 37.3 seconds.
 File lengths (MBytes):  RWF=   2517 Int=      0 D2E=      0 Chk=    170 Scr=      1
 Normal termination of Gaussian 09 at Tue Jun 30 20:11:18 2020.
